The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
2,7-diazaspiro[3.5]nonane-2-carboxylic acid, phenylmethyl ester, hydrochloride (1:1) - 97%, high purity , CAS No.1227381-91-0
Basic Description
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzyloxycarbonyls
Intermediate Tree Nodes
Not available
Direct Parent
Benzyloxycarbonyls
Alternative Parents
Azetidinecarboxylic acids Piperidines Carbamate esters Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzyloxycarbonyl - Azetidinecarboxylic acid - Piperidine - Carbamic acid ester - Azetidine - Secondary aliphatic amine - Azacycle - Secondary amine - Organoheterocyclic compound - Amine - Hydrochloride - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
benzyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;hydrochloride
INCHI
InChI=1S/C15H20N2O2.ClH/c18-14(19-10-13-4-2-1-3-5-13)17-11-15(12-17)6-8-16-9-7-15;/h1-5,16H,6-12H2;1H
InChIKey
DITCBNHNFWNNFY-UHFFFAOYSA-N
Smiles
C1CNCCC12CN(C2)C(=O)OCC3=CC=CC=C3.Cl
Isomeric SMILES
C1CNCCC12CN(C2)C(=O)OCC3=CC=CC=C3.Cl
Molecular Weight
296.792
Reaxy-Rn
23387194
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23387194&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
296.790 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
296.129 Da
Monoisotopic Mass
296.129 Da
Topological Polar Surface Area
41.600 Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
312.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
2
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
